N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide

C25H24N4O2 — CID 46393780

IUPACN-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2nc3cccnc3n(C(C)C)c2=O)cc1
InChIInChI=1S/C25H24N4O2/c1-4-17-8-5-6-9-20(17)28-24(30)19-13-11-18(12-14-19)22-25(31)29(16(2)3)23-21(27-22)10-7-15-26-23/h5-16H,4H2,1-3H3,(H,28,30)
InChIKeyVCLHAXGCGUWXBQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.85
Rot. Bonds5

About N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide

N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide (PubChem CID 46393780) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
PubChem CID46393780
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2nc3cccnc3n(C(C)C)c2=O)cc1
InChIInChI=1S/C25H24N4O2/c1-4-17-8-5-6-9-20(17)28-24(30)19-13-11-18(12-14-19)22-25(31)29(16(2)3)23-21(27-22)10-7-15-26-23/h5-16H,4H2,1-3H3,(H,28,30)
InChIKeyVCLHAXGCGUWXBQ-UHFFFAOYSA-N
XLogP4.85
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide (CID 46393780) is N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide is CCc1ccccc1NC(=O)c1ccc(-c2nc3cccnc3n(C(C)C)c2=O)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The InChIKey is VCLHAXGCGUWXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-4-17-8-5-6-9-20(17)28-24(30)19-13-11-18(12-14-19)22-25(31)29(16(2)3)23-21(27-22)10-7-15-26-23/h5-16H,4H2,1-3H3,(H,28,30).
What are the key properties of N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide is sourced from PubChem (CID 46393780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).